(1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol

C19H27NO3 — CID 72884937

IUPAC(1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol
SMILESOCCO[C@H]1C[C@@H](O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C19H27NO3/c21-13-14-23-18-15-17(22)19(18)8-11-20(12-9-19)10-4-7-16-5-2-1-3-6-16/h1-7,17-18,21-22H,8-15H2/b7-4+/t17-,18+/m1/s1
InChIKeyDGIAQRXTYRUUHV-JLLHVBAKSA-N
MW317.43 g/mol
LogP1.92
Rot. Bonds6

About (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72884937) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID72884937
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol
SMILESOCCO[C@H]1C[C@@H](O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C19H27NO3/c21-13-14-23-18-15-17(22)19(18)8-11-20(12-9-19)10-4-7-16-5-2-1-3-6-16/h1-7,17-18,21-22H,8-15H2/b7-4+/t17-,18+/m1/s1
InChIKeyDGIAQRXTYRUUHV-JLLHVBAKSA-N
XLogP1.92
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3S)-3-(2-hydroxyethoxy)-7-(3-phenylprop-2-enyl)-7-azaspiro[3.5]nonan-1-ol
CID 91940370
(1S,3R)-3-(2-hydroxyethoxy)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7-azaspiro[3.5]nonan-1-ol
CID 133133029
(1R,3S)-7-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 70712874
(1S,3R)-3-(2-hydroxyethoxy)-7-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 133130332
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
CID 165422452
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940760
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol (CID 72884937) is (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol is OCCO[C@H]1C[C@@H](O)C12CCN(C/C=C/c1ccccc1)CC2.
What is the InChIKey of (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is DGIAQRXTYRUUHV-JLLHVBAKSA-N. The full InChI is InChI=1S/C19H27NO3/c21-13-14-23-18-15-17(22)19(18)8-11-20(12-9-19)10-4-7-16-5-2-1-3-6-16/h1-7,17-18,21-22H,8-15H2/b7-4+/t17-,18+/m1/s1.
What are the key properties of (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 317.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(2-hydroxyethoxy)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72884937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).